Detailed information for compound 1555349

Basic information

Technical information
  • TDR Targets ID: 1555349
  • Name: ethyl 4-[2-hydroxy-3-(2-propan-2-ylphenoxy)pr opyl]piperazine-1-carboxylate hydrochloride
  • MW: 386.913 | Formula: C19H31ClN2O4
  • H donors: 1 H acceptors: 2 LogP: 3.28 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCN(CC1)CC(COc1ccccc1C(C)C)O.Cl
  • InChi: 1S/C19H30N2O4.ClH/c1-4-24-19(23)21-11-9-20(10-12-21)13-16(22)14-25-18-8-6-5-7-17(18)15(2)3;/h5-8,15-16,22H,4,9-14H2,1-3H3;1H
  • InChiKey: YZKVBOQJGRHXMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate; hydron; chloride
  • ethyl 4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazine-1-carboxylate; hydron; chloride
  • ethyl 4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazine-1-carboxylate hydrochloride
  • hydron; 4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-1-piperazinecarboxylic acid ethyl ester; chloride
  • 4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride
  • hydron; 4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazine-1-carboxylic acid ethyl ester; chloride
  • 4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride
  • MLS000047823
  • SMR000033825

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi acetyltransferase, GNAT family protein 0.0157 0.2886 0.2886
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.0152
Onchocerca volvulus 0.0017 0.0113 0.121
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0281 0.0506
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0059 0.0934 0.083
Echinococcus granulosus methionine synthase reductase 0.0318 0.6087 0.6087
Echinococcus multilocularis snurportin 1 0.0317 0.6055 0.601
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0634 0.0976
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0634 0.0976
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0966 0.0966
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0249 0.0249
Echinococcus multilocularis methionine synthase reductase 0.0318 0.6087 0.6043
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0113 0.0113
Mycobacterium tuberculosis Probable monooxygenase 0.0059 0.0934 0.1559
Mycobacterium ulcerans electron transfer protein FdxB 0.0059 0.0934 0.0794
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0281 0.0131
Onchocerca volvulus 0.0059 0.0934 1
Loa Loa (eye worm) acetyltransferase 0.0157 0.2886 0.2886
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.036 0.0521
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0197 0.3684 0.3684
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0157 0.2886 0.2805
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0281 0.0281
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0059 0.0934 0.083
Mycobacterium tuberculosis Possible oxygenase 0.0059 0.0934 0.1559
Onchocerca volvulus 0.0015 0.0072 0.0768
Trypanosoma cruzi reductase, putative 0.0059 0.0934 0.083
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0795 0.069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0059 0.0934 0.083
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0197 0.3684 0.3612
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0059 0.0934 0.083
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0516 1 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Echinococcus granulosus cytochrome b5 reductase 4 0.0059 0.0934 0.0934
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.0152
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Entamoeba histolytica type A flavoprotein, putative 0.0197 0.3684 0.6646
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0705 0.0705
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.0745
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0516 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0318 0.6087 0.6087
Trypanosoma brucei nitrate reductase, putative 0.0059 0.0934 0.0745
Giardia lamblia Nitric oxide synthase, inducible 0.0457 0.8837 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0634 0.0634
Trypanosoma brucei oxidoreductase-protein, putative 0.0059 0.0934 0.0745
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0705 0.0599
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0516 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0197 0.3684 0.6646
Loa Loa (eye worm) hypothetical protein 0.0043 0.0634 0.0634
Schistosoma mansoni survival motor neuron protein 0.0047 0.0703 0.0703
Schistosoma mansoni NADPH flavin oxidoreductase 0.026 0.4924 0.4924
Loa Loa (eye worm) FAD binding domain-containing protein 0.0516 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0204 0.0092
Entamoeba histolytica Ran family GTPase 0.0022 0.0204 0.0369
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0705 0.0705
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0281 0.0131
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0961 0.0857
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Schistosoma mansoni hypothetical protein 0.0019 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0041 0.0588 0.0588
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Brugia malayi diaphorase 0.0059 0.0934 0.0934
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0281 0.017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0516 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0705 0.0599
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1074 0.0972
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0059 0.0934 0.0745
Loa Loa (eye worm) FAD binding domain-containing protein 0.0318 0.6087 0.6087
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0059 0.0934 0.0934
Loa Loa (eye worm) ctsf protein 0.0017 0.0113 0.0113
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0281 0.0131
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0634 0.0976
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0634 0.0976
Echinococcus granulosus cytochrome b5 reductase 4 0.0059 0.0934 0.0934
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0634 0.0634
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0281 0.0131
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0059 0.0934 0.083
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0204 0.0092
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Mycobacterium ulcerans oxygenase 0.0059 0.0934 0.0794
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0281 0.0131
Plasmodium falciparum nitric oxide synthase, putative 0.0516 1 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0634 0.11
Schistosoma mansoni hypothetical protein 0.0019 0.0149 0.0149
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0687 0.0687
Brugia malayi FAD binding domain containing protein 0.0516 1 1
Plasmodium vivax oxidoreductase NAD-binding domain containing protein 0.0059 0.0934 0.083
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0634 0.0634
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0634 0.0527
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0152 0.0039
Loa Loa (eye worm) fibroinase 0.0017 0.0113 0.0113
Leishmania major NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Plasmodium vivax flavodoxin domain containing protein 0.0457 0.8837 0.8824
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0611 0.1102
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0204 0.0092
Schistosoma mansoni importin beta-1 0.003 0.036 0.036
Loa Loa (eye worm) hypothetical protein 0.0043 0.0634 0.0634
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0059 0.0934 0.083
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0317 0.6055 0.6055
Mycobacterium ulcerans oxidoreductase 0.0059 0.0934 0.0794
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0204 0.0204
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0059 0.0934 0.083
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0966 0.0966
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0634 0.0634
Entamoeba histolytica type A flavoprotein, putative 0.0197 0.3684 0.6646
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0113 0.0113
Onchocerca volvulus 0.0026 0.0281 0.3005
Entamoeba histolytica type A flavoprotein, putative 0.0197 0.3684 0.6646
Entamoeba histolytica cysteine protease, putative 0.0017 0.0113 0.0204
Mycobacterium ulcerans flavodoxin oxidoreductase 0.0059 0.0934 0.0794
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0113 0.121
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0281 0.017
Giardia lamblia Hypothetical protein 0.0457 0.8837 1
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0113 0.0113
Leishmania major reductase, putative 0.0059 0.0934 0.083
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0059 0.0934 0.1559
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.5543 0.5543
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0588 0.0588
Brugia malayi Cathepsin L-like precursor 0.0017 0.0113 0.0113
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0634 0.0976
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0634 0.0634
Toxoplasma gondii flavodoxin domain-containing protein 0.0256 0.4847 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0059 0.0934 0.0745
Echinococcus granulosus histone acetyltransferase KAT2B 0.0153 0.2799 0.2799
Brugia malayi beta-lactamase 0.0043 0.0634 0.0634
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.0152
Trypanosoma cruzi nitrate reductase, putative 0.0059 0.0934 0.083
Trypanosoma cruzi p450 reductase, putative 0.0516 1 1
Leishmania major hypothetical protein, conserved 0.0197 0.3684 0.3612
Plasmodium vivax hypothetical protein, conserved 0.0197 0.3684 0.3612
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0113 0.0113
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0634 0.0438
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0516 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0516 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0113 0.0113
Plasmodium vivax importin-beta 2, putative 0.003 0.036 0.025
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.4341 0.4277
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0059 0.0934 0.1559
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.5543 0.5543
Mycobacterium ulcerans hypothetical protein 0.0026 0.0281 0.0131
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.0745
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0149 0.0149
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0687 0.1213
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1074 0.0972
Leishmania major p450 reductase, putative 0.0516 1 1
Leishmania major NADH-dependent fumarate reductase, putative 0.0059 0.0934 0.083
Mycobacterium ulcerans flavodoxin reductase Hmp 0.0059 0.0934 0.0794
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0113 0.0113
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0634 0.0634
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0281 0.0506
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.1074 0.0972
Trypanosoma cruzi oxidoreductase-protein, putative 0.0059 0.0934 0.083
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0634 0.0634
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0113 0.0113
Brugia malayi Cathepsin L-like precursor 0.0017 0.0113 0.0113
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0059 0.0934 0.083
Entamoeba histolytica type A flavoprotein, putative 0.0197 0.3684 0.6646
Leishmania major NADH-dependent fumarate reductase-like protein 0.0059 0.0934 0.083
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0197 0.3684 0.3684
Echinococcus multilocularis GPCR, family 2 0.0019 0.0149 0.0036
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Leishmania major nitrate reductase, putative 0.0059 0.0934 0.083
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0281 0.029
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0634 0.1528
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1074 0.0972
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0249 0.0249
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0634 0.0634
Echinococcus granulosus snurportin 1 0.0317 0.6055 0.6055
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0059 0.0934 0.083
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.5543 0.5543
Mycobacterium leprae Probable lipase LipE 0.0043 0.0634 0.1528
Brugia malayi Cathepsin L-like precursor 0.0017 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0634 0.0634
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0705 0.0705
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0059 0.0934 0.083
Leishmania major cathepsin L-like protease 0.0066 0.1074 0.0972
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.2591 1
Schistosoma mansoni hypothetical protein 0.0019 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.003 0.036 0.036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0197 0.3684 0.3612
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0113 0.0113
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.5543 0.5543
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.2591 0.4775
Schistosoma mansoni hypothetical protein 0.0041 0.0588 0.0588
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0516 1 1
Onchocerca volvulus 0.0043 0.0634 0.6785
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.2181 0.2181
Schistosoma mansoni ran 0.0022 0.0204 0.0204
Loa Loa (eye worm) cysteine protease 0.0017 0.0113 0.0113
Mycobacterium ulcerans hypothetical protein 0.0043 0.0634 0.0489
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0281 0.0131
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0149 0.0149
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5282 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0149 0.0036
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0113 0.0113
Chlamydia trachomatis sulfite reductase 0.0318 0.6087 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0113 0.0113
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0059 0.0934 0.1734
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0611 0.0471
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0204 0.0092
Onchocerca volvulus 0.0043 0.0634 0.6785
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0113 0.0113
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.5543 1
Onchocerca volvulus 0.0047 0.0703 0.753
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0516 1 1
Trypanosoma brucei NADH-dependent fumarate reductase 0.0059 0.0934 0.0745
Trichomonas vaginalis sulfite reductase, putative 0.0516 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0516 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0687 0.0687
Trypanosoma brucei NADH-dependent fumarate reductase 0.0059 0.0934 0.0745
Mycobacterium ulcerans monooxygenase 0.0059 0.0934 0.0794
Brugia malayi Importin beta-1 subunit 0.003 0.036 0.036
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0197 0.3684 0.3612
Loa Loa (eye worm) hypothetical protein 0.0026 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0026 0.0281 0.0281
Plasmodium falciparum NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0516 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.5543 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0634 0.0527
Leishmania major importin beta-1 subunit, putative 0.0024 0.0249 0.0137
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0059 0.0934 0.0934
Treponema pallidum flavodoxin 0.0197 0.3684 0.5966
Echinococcus granulosus survival motor neuron protein 1 0.023 0.4341 0.4341
Echinococcus granulosus cathepsin l1 0.0017 0.0113 0.0113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0152 0.0039
Leishmania major cathepsin L-like protease 0.0066 0.1074 0.0972
Trichomonas vaginalis esterase, putative 0.0043 0.0634 0.0634
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0705 0.0705
Leishmania major cytochrome P450 reductase, putative 0.0457 0.8837 0.8824
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.2591 0.2477
Onchocerca volvulus 0.0017 0.0113 0.121
Brugia malayi beta-lactamase family protein 0.0043 0.0634 0.0634
Schistosoma mansoni diflavin oxidoreductase 0.0256 0.4847 0.4847
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0634 0.0634
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0113 0.121
Leishmania major cytochrome-b5 reductase, putative 0.0059 0.0934 0.083
Trichomonas vaginalis ran, putative 0.0022 0.0204 0.0204
Leishmania major cytochrome-b5 reductase, putative 0.0059 0.0934 0.083
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.036 0.0159
Echinococcus granulosus importin subunit beta 1 0.003 0.036 0.036
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0113 0.0113
Brugia malayi beta-lactamase family protein 0.0043 0.0634 0.0634
Brugia malayi FAD binding domain containing protein 0.0318 0.6087 0.6087
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0113 0.0113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0705 0.0705
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0703 0.0703
Echinococcus granulosus GPCR family 2 0.0019 0.0149 0.0149
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0634 0.0489
Leishmania major oxidoreductase-like protein 0.0059 0.0934 0.083
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 0.5543 0.6184
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.0059 0.0934 0.0745
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0149 0.0036
Plasmodium falciparum importin beta, putative 0.003 0.036 0.025
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.0152
Brugia malayi Cathepsin L-like precursor 0.0017 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.006 0.0966 0.0966
Loa Loa (eye worm) beta-lactamase 0.0043 0.0634 0.0634
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.5543 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0059 0.0934 0.1559
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0113 0.0113
Onchocerca volvulus 0.0017 0.0113 0.121
Leishmania major hypothetical protein, conserved 0.0043 0.0634 0.0527
Schistosoma mansoni hypothetical protein 0.0317 0.6055 0.6055
Giardia lamblia Flavohemoprotein lateral transfer candidate 0.0059 0.0934 0.0845
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0204 0.0193
Mycobacterium tuberculosis Conserved protein 0.0043 0.0634 0.0976
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0281 0.0281
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0149 0.0149
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.2181 0.2181
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0204 0.0204
Brugia malayi flavodoxin family protein 0.0197 0.3684 0.3684
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0249 0.0249
Brugia malayi Cathepsin L-like precursor 0.0017 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.0152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0705 0.0705
Leishmania major NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Plasmodium vivax ferredoxin--NADP reductase, putative 0.0059 0.0934 0.083
Loa Loa (eye worm) hypothetical protein 0.0019 0.0149 0.0149
Mycobacterium ulcerans beta-lactamase 0.0043 0.0634 0.0489
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0113 0.0113
Onchocerca volvulus 0.0017 0.0113 0.121
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0634 0.0976
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0197 0.3684 0.3684
Schistosoma mansoni cytochrome B5 0.0059 0.0934 0.0934
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0634 0.0634
Loa Loa (eye worm) hypothetical protein 0.0017 0.0113 0.0113
Chlamydia trachomatis Na(+)-translocating NADH-quinone reductase subunit F 0.0059 0.0934 0.1318
Mycobacterium ulcerans lipase LipD 0.0043 0.0634 0.0489
Onchocerca volvulus 0.0017 0.0113 0.121
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0457 0.8837 0.8837
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0113 0.0204
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0113 0.0113
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0634 0.0976
Schistosoma mansoni ran 0.0022 0.0204 0.0204
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0634 0.0489
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0149 0.0149
Echinococcus multilocularis importin subunit beta 1 0.003 0.036 0.025
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.0745
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0611 0.0504
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0059 0.0934 0.0934
Loa Loa (eye worm) hypothetical protein 0.0516 1 1
Schistosoma mansoni hypothetical protein 0.0047 0.0703 0.0703
Loa Loa (eye worm) hypothetical protein 0.0026 0.0281 0.0281
Loa Loa (eye worm) diaphorase 0.0059 0.0934 0.0934
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0516 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0249 0.0137
Entamoeba histolytica hypothetical protein 0.0024 0.0249 0.0448
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.5543 0.5543
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0152 0.004
Loa Loa (eye worm) flavodoxin family protein 0.0197 0.3684 0.3684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0687 0.0687
Brugia malayi RNA, U transporter 1 0.0084 0.1445 0.1445
Brugia malayi hypothetical protein 0.023 0.4341 0.4341
Onchocerca volvulus 0.0043 0.0634 0.6785
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0516 1 1
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0197 0.3684 0.3552
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0113 0.0113
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.5543 0.5543
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.0745
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0687 0.1213
Plasmodium falciparum ferredoxin--NADP reductase 0.0059 0.0934 0.083
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0204 0.0092
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0157 0.2886 0.2886
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0113 0.121
Mycobacterium tuberculosis Conserved protein 0.0043 0.0634 0.0976
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0516 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0059 0.0934 0.0934
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Mycobacterium tuberculosis Conserved protein 0.0043 0.0634 0.0976
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0149 0.0149
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0059 0.0934 0.1734
Leishmania major cathepsin L-like protease 0.0066 0.1074 0.0972
Brugia malayi Cathepsin L-like precursor 0.0017 0.0113 0.0113
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0634 0.0527
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0281 0.0281
Onchocerca volvulus 0.0017 0.0113 0.121
Brugia malayi MH2 domain containing protein 0.0121 0.2181 0.2181
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0966 0.0966
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0634 0.0634
Echinococcus multilocularis cytochrome b5 reductase 4 0.0059 0.0934 0.083
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0197 0.3684 0.3612
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0281 0.0506
Toxoplasma gondii flavodoxin domain-containing protein 0.0256 0.4847 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Loa Loa (eye worm) hypothetical protein 0.023 0.4341 0.4341
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0634 0.0527
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0634 0.0634
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0197 0.3684 0.3684
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0113 0.0113
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0113 0.0204
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.5543 0.5543
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0197 0.3684 0.3612
Loa Loa (eye worm) hypothetical protein 0.0043 0.0634 0.0634
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.5543 0.5543
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0516 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.036 0.0159
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0281 0.0131
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0687 0.0581
Leishmania major GTP-binding protein, putative 0.0022 0.0204 0.0092
Schistosoma mansoni cytochrome P450 reductase 0.0516 1 1
Onchocerca volvulus 0.0017 0.0113 0.121
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1074 0.0887
Schistosoma mansoni hypothetical protein 0.0019 0.0149 0.0149
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.0745
Trypanosoma cruzi p450 reductase, putative 0.0059 0.0934 0.083
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0705 0.0705
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0281 0.029
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.0745
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0204 0.0204
Leishmania major NADH-cytochrome b5 reductase, putative 0.0059 0.0934 0.083
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0281 0.017

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.7865 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.